3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine

C11H20N2O2 — CID 90835079

IUPAC3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine
SMILESCOC1=NC(C)(C)C(OC)=NC1C(C)C
InChIInChI=1S/C11H20N2O2/c1-7(2)8-9(14-5)13-11(3,4)10(12-8)15-6/h7-8H,1-6H3
InChIKeyMAZVAPTXLQRRNV-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.89
Rot. Bonds1

About 3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine

3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine (PubChem CID 90835079) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine.

Molecular Properties

Compound Name3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine
PubChem CID90835079
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine
SMILESCOC1=NC(C)(C)C(OC)=NC1C(C)C
InChIInChI=1S/C11H20N2O2/c1-7(2)8-9(14-5)13-11(3,4)10(12-8)15-6/h7-8H,1-6H3
InChIKeyMAZVAPTXLQRRNV-UHFFFAOYSA-N
XLogP1.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine?
The IUPAC name of 3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine (CID 90835079) is 3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine.
What is the SMILES notation for 3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine?
The canonical SMILES for 3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine is COC1=NC(C)(C)C(OC)=NC1C(C)C.
What is the InChIKey of 3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine?
The InChIKey is MAZVAPTXLQRRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)8-9(14-5)13-11(3,4)10(12-8)15-6/h7-8H,1-6H3.
What are the key properties of 3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine?
3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine has a molecular weight of 212.29 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine is sourced from PubChem (CID 90835079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).